SCHEMBL12630227

SCHEMBL12630227

C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)c1cccc(OCC2CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 13/20 0.67
▸ ACACA Q13085 4/20 0.50
▸ ACACB O00763 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12630213 0.83 DUT (0.67) DUTACACB
SCHEMBL12630219 0.83 DUT (0.66) DUT
SCHEMBL12630195 0.82 DUT (0.56) DUT
SCHEMBL12629725 0.80 DUT (0.56) DUTACACAACACB
SCHEMBL20560962 0.77 DUT (0.55) DUTACACAACACB
SCHEMBL20560961 0.77 DUT (0.55) DUTACACAACACB
SCHEMBL20560838 0.76 DUT (0.56) DUTACACAACACB
SCHEMBL20560837 0.76 DUT (0.56) DUTACACAACACB
SCHEMBL21690989 0.75 DUT (0.66) DUT
SCHEMBL20351450 0.75 DUT (0.66) DUT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011065545-A1 5-FLUOROURACIL COMPOUND HAVING dUTPase-INHIBITING ACTIVITY OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-06-03 — — WO disclosed
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